SCHEMBL4848519

SCHEMBL4848519

O=C(CCCN(c1nc2cc(Cl)ccc2[nH]1)c1ncnc2cc(C(=O)N3CCCC3)c(Cl)cc12)N1CCc2[nH]cnc2C1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.32
HRH4 Q9H3N8 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
KDR P35968 1/20 0.31
MAPK1 P28482 1/20 0.30
BAZ2B Q9UIF8 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4841544 0.81 HRH4 (0.35) HRH4HRH3
SCHEMBL4841532 0.81 BACE1 (0.35) HRH4HRH3
SCHEMBL4147994 0.80 MAPK1 (0.33) HRH4HRH3KDRMAPK1
SCHEMBL4841860 0.79 HRH4 (0.32) HRH4HRH3
SCHEMBL4841867 0.79 ABL1 (0.34) HRH4HRH3
SCHEMBL4148485 0.77 HRH4 (0.41) HRH4HRH3
SCHEMBL4839125 0.75 LMNA (0.40) HRH4HRH3BAZ2B
SCHEMBL4848523 0.75 HRH4 (0.32) HRH4HRH3MAPK1BAZ2B
SCHEMBL4156257 0.73 BAZ2B (0.34) MAPK1BAZ2B
SCHEMBL4844540 0.72 KMT2A (0.40)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7429597-B2 Substituted nitrogen-containing heterobicycles, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO., KG (DE) 2008-09-30 US disclosed
US-20040176603-A1 Substituted nitrogen-containing heterobicycles, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-09-09 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040176603-A1 Substituted nitrogen-containing heterobicycles, the preparation thereof and their use as pharmaceutical compositions F11, F12, F2 TAAR1 1160/4885HRH4 1414/4885HRH3 963/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.